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CAS 24363-23-3 7-OXA-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 24363-23-3

7-OXA-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID

  • Product code: starshine_CAS24363-23-3
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24363-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Shenzhen Inquiry

24363-23-3 / 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Standard CAS: 24363-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24363-23-3
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
SMILES
C1C2C=CC(C1C(=O)O)O2
InChI
InChI=1S/C7H8O3/c8-7(9)5-3-4-1-2-6(5)10-4/h1-2,4-6H,3H2,(H,8,9)
InChIKey
HLZLZWREBWOZCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.54
TPSA
46.53

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
Consensus LogP
0.26
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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